Geometry & MOs

Info

ID:	424296
PubChem CID:	135122108
Reduced:	O4N6C21H30 (1)
Stoich.:	A4B6C21D30 (1)
Weight, g/mol:	225.196688
ΔH_f, kcal/mol:	-105.35
Dipole, Da:	3.78
IP(EA), eV:	-8.05(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

8-(2,3-dimethylimidazol-3-ium-1-yl)octan-1-ol

Drug info:

PubChemData

Smile

CC(CCCNC(=O)NNC(=O)NC1(CC1)CO)NC2=C3C(=CC(=C2)OC)C=CC=N3

DOS

IR

Vibrations